USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 369 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 720 THR OG1 : rot 180:sc= 0 USER MOD Single : A 722 HIS : no HD1:sc=-0.00775 X(o=-0.0077,f=-0.0071) USER MOD Single : A 725 LYS NZ :NH3+ -162:sc= 0.887 (180deg=0.0702) USER MOD Single : A 729 LYS NZ :NH3+ -161:sc= -0.0276 (180deg=-0.262) USER MOD Single : A 738 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 741 THR OG1 : rot -36:sc= 0.0186 USER MOD Single : A 743 ASN : amide:sc= 0.00011 K(o=0.00011,f=-0.51) USER MOD Single : A 744 ASN : amide:sc= 0.64 K(o=0.64,f=-4.8!) USER MOD Single : A 748 LYS NZ :NH3+ 167:sc= -0.0523 (180deg=-0.294) USER MOD Single : A 751 THR OG1 : rot -179:sc= -2.18! USER MOD Single : A 752 SER OG : rot -120:sc= 0 USER MOD Single : A 753 THR OG1 : rot 180:sc= 0 USER MOD Single : A 755 THR OG1 : rot 180:sc= 0 USER MOD Single : A 756 ASN : amide:sc= -0.0444 X(o=-0.044,f=0) USER MOD Single : A 758 THR OG1 : rot 180:sc= 0 USER MOD Single : A 759 TYR OH : rot 180:sc= 0 USER MOD Single : A 762 THR OG1 : rot 42:sc= 0.185 USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 717 2.080 -5.039 -0.977 1.00 11.24 N ATOM 24 CA LEU A 717 2.970 -6.122 -1.374 1.00 14.34 C ATOM 25 C LEU A 717 3.047 -6.249 -2.886 1.00 53.34 C ATOM 26 O LEU A 717 4.094 -6.550 -3.430 1.00 30.52 O ATOM 27 CB LEU A 717 2.517 -7.440 -0.773 1.00 54.33 C ATOM 28 CG LEU A 717 3.484 -8.606 -0.946 1.00 55.31 C ATOM 29 CD1 LEU A 717 4.669 -8.469 -0.005 1.00 43.10 C ATOM 30 CD2 LEU A 717 2.784 -9.922 -0.746 1.00 30.14 C ATOM 0 HA LEU A 717 3.963 -5.881 -0.996 1.00 14.34 H new ATOM 0 HB2 LEU A 717 2.340 -7.292 0.292 1.00 54.33 H new ATOM 0 HB3 LEU A 717 1.561 -7.714 -1.220 1.00 54.33 H new ATOM 0 HG LEU A 717 3.862 -8.582 -1.968 1.00 55.31 H new ATOM 0 HD11 LEU A 717 5.345 -9.312 -0.146 1.00 43.10 H new ATOM 0 HD12 LEU A 717 5.198 -7.540 -0.219 1.00 43.10 H new ATOM 0 HD13 LEU A 717 4.315 -8.456 1.026 1.00 43.10 H new ATOM 0 HD21 LEU A 717 3.497 -10.737 -0.875 1.00 30.14 H new ATOM 0 HD22 LEU A 717 2.365 -9.962 0.260 1.00 30.14 H new ATOM 0 HD23 LEU A 717 1.982 -10.022 -1.477 1.00 30.14 H new ATOM 42 N LEU A 718 1.928 -5.986 -3.554 1.00 42.41 N ATOM 43 CA LEU A 718 1.853 -6.059 -5.018 1.00 70.20 C ATOM 44 C LEU A 718 2.887 -5.160 -5.657 1.00 24.15 C ATOM 45 O LEU A 718 3.401 -5.450 -6.728 1.00 74.50 O ATOM 46 CB LEU A 718 0.464 -5.645 -5.501 1.00 23.43 C ATOM 47 CG LEU A 718 -0.699 -6.512 -5.049 1.00 55.31 C ATOM 48 CD1 LEU A 718 -2.007 -5.922 -5.540 1.00 34.04 C ATOM 49 CD2 LEU A 718 -0.531 -7.938 -5.555 1.00 53.14 C ATOM 0 H LEU A 718 1.052 -5.718 -3.105 1.00 42.41 H new ATOM 0 HA LEU A 718 2.049 -7.091 -5.310 1.00 70.20 H new ATOM 0 HB2 LEU A 718 0.278 -4.624 -5.168 1.00 23.43 H new ATOM 0 HB3 LEU A 718 0.473 -5.628 -6.591 1.00 23.43 H new ATOM 0 HG LEU A 718 -0.714 -6.538 -3.959 1.00 55.31 H new ATOM 0 HD11 LEU A 718 -2.835 -6.550 -5.212 1.00 34.04 H new ATOM 0 HD12 LEU A 718 -2.129 -4.918 -5.133 1.00 34.04 H new ATOM 0 HD13 LEU A 718 -1.998 -5.873 -6.629 1.00 34.04 H new ATOM 0 HD21 LEU A 718 -1.373 -8.544 -5.221 1.00 53.14 H new ATOM 0 HD22 LEU A 718 -0.495 -7.936 -6.644 1.00 53.14 H new ATOM 0 HD23 LEU A 718 0.395 -8.357 -5.162 1.00 53.14 H new ATOM 61 N ILE A 719 3.198 -4.084 -4.988 1.00 0.30 N ATOM 62 CA ILE A 719 4.100 -3.116 -5.502 1.00 1.43 C ATOM 63 C ILE A 719 5.511 -3.346 -4.958 1.00 53.04 C ATOM 64 O ILE A 719 6.503 -3.084 -5.646 1.00 21.23 O ATOM 65 CB ILE A 719 3.639 -1.678 -5.143 1.00 41.25 C ATOM 66 CG1 ILE A 719 2.149 -1.492 -5.476 1.00 22.14 C ATOM 67 CG2 ILE A 719 4.478 -0.642 -5.875 1.00 21.12 C ATOM 68 CD1 ILE A 719 1.252 -1.470 -4.259 1.00 33.53 C ATOM 0 H ILE A 719 2.825 -3.862 -4.065 1.00 0.30 H new ATOM 0 HA ILE A 719 4.111 -3.224 -6.587 1.00 1.43 H new ATOM 0 HB ILE A 719 3.778 -1.535 -4.071 1.00 41.25 H new ATOM 0 HG12 ILE A 719 2.023 -0.560 -6.026 1.00 22.14 H new ATOM 0 HG13 ILE A 719 1.830 -2.298 -6.137 1.00 22.14 H new ATOM 0 HG21 ILE A 719 4.136 0.358 -5.607 1.00 21.12 H new ATOM 0 HG22 ILE A 719 5.525 -0.756 -5.592 1.00 21.12 H new ATOM 0 HG23 ILE A 719 4.375 -0.785 -6.951 1.00 21.12 H new ATOM 0 HD11 ILE A 719 0.217 -1.336 -4.572 1.00 33.53 H new ATOM 0 HD12 ILE A 719 1.348 -2.412 -3.719 1.00 33.53 H new ATOM 0 HD13 ILE A 719 1.544 -0.647 -3.607 1.00 33.53 H new ATOM 80 N THR A 720 5.602 -3.872 -3.731 1.00 34.31 N ATOM 81 CA THR A 720 6.888 -4.046 -3.084 1.00 54.11 C ATOM 82 C THR A 720 7.699 -5.141 -3.775 1.00 52.41 C ATOM 83 O THR A 720 8.905 -5.207 -3.629 1.00 41.22 O ATOM 84 CB THR A 720 6.740 -4.359 -1.565 1.00 22.33 C ATOM 85 OG1 THR A 720 7.953 -4.037 -0.873 1.00 53.42 O ATOM 86 CG2 THR A 720 6.423 -5.819 -1.339 1.00 33.43 C ATOM 0 H THR A 720 4.802 -4.179 -3.178 1.00 34.31 H new ATOM 0 HA THR A 720 7.423 -3.100 -3.175 1.00 54.11 H new ATOM 0 HB THR A 720 5.920 -3.753 -1.181 1.00 22.33 H new ATOM 0 HG1 THR A 720 7.848 -4.236 0.081 1.00 53.42 H new ATOM 0 HG21 THR A 720 6.325 -6.009 -0.270 1.00 33.43 H new ATOM 0 HG22 THR A 720 5.488 -6.070 -1.839 1.00 33.43 H new ATOM 0 HG23 THR A 720 7.227 -6.433 -1.744 1.00 33.43 H new ATOM 94 N ILE A 721 7.005 -5.990 -4.550 1.00 55.41 N ATOM 95 CA ILE A 721 7.646 -7.032 -5.328 1.00 13.51 C ATOM 96 C ILE A 721 8.667 -6.425 -6.253 1.00 62.24 C ATOM 97 O ILE A 721 9.757 -6.960 -6.432 1.00 63.14 O ATOM 98 CB ILE A 721 6.603 -7.806 -6.190 1.00 4.24 C ATOM 99 CG1 ILE A 721 5.557 -8.484 -5.299 1.00 54.30 C ATOM 100 CG2 ILE A 721 7.295 -8.829 -7.091 1.00 1.00 C ATOM 101 CD1 ILE A 721 4.439 -9.167 -6.068 1.00 24.51 C ATOM 0 H ILE A 721 5.990 -5.964 -4.646 1.00 55.41 H new ATOM 0 HA ILE A 721 8.124 -7.722 -4.632 1.00 13.51 H new ATOM 0 HB ILE A 721 6.089 -7.086 -6.828 1.00 4.24 H new ATOM 0 HG12 ILE A 721 6.054 -9.222 -4.669 1.00 54.30 H new ATOM 0 HG13 ILE A 721 5.123 -7.738 -4.633 1.00 54.30 H new ATOM 0 HG21 ILE A 721 6.547 -9.357 -7.683 1.00 1.00 H new ATOM 0 HG22 ILE A 721 7.990 -8.317 -7.757 1.00 1.00 H new ATOM 0 HG23 ILE A 721 7.842 -9.544 -6.476 1.00 1.00 H new ATOM 0 HD11 ILE A 721 3.740 -9.623 -5.366 1.00 24.51 H new ATOM 0 HD12 ILE A 721 3.914 -8.431 -6.677 1.00 24.51 H new ATOM 0 HD13 ILE A 721 4.860 -9.938 -6.713 1.00 24.51 H new ATOM 113 N HIS A 722 8.327 -5.289 -6.815 1.00 72.14 N ATOM 114 CA HIS A 722 9.180 -4.642 -7.747 1.00 30.45 C ATOM 115 C HIS A 722 10.432 -4.156 -7.076 1.00 2.22 C ATOM 116 O HIS A 722 11.517 -4.348 -7.578 1.00 62.01 O ATOM 117 CB HIS A 722 8.474 -3.494 -8.417 1.00 3.45 C ATOM 118 CG HIS A 722 9.045 -3.181 -9.731 1.00 51.11 C ATOM 119 ND1 HIS A 722 9.773 -2.051 -9.997 1.00 53.33 N ATOM 120 CD2 HIS A 722 8.996 -3.868 -10.866 1.00 5.43 C ATOM 121 CE1 HIS A 722 10.148 -2.063 -11.250 1.00 20.14 C ATOM 122 NE2 HIS A 722 9.690 -3.157 -11.803 1.00 24.35 N ATOM 0 H HIS A 722 7.451 -4.799 -6.631 1.00 72.14 H new ATOM 0 HA HIS A 722 9.453 -5.372 -8.509 1.00 30.45 H new ATOM 0 HB2 HIS A 722 7.417 -3.737 -8.531 1.00 3.45 H new ATOM 0 HB3 HIS A 722 8.532 -2.612 -7.779 1.00 3.45 H new ATOM 0 HD2 HIS A 722 8.499 -4.814 -11.020 1.00 5.43 H new ATOM 0 HE1 HIS A 722 10.734 -1.302 -11.743 1.00 20.14 H new ATOM 0 HE2 HIS A 722 9.829 -3.434 -12.775 1.00 24.35 H new ATOM 131 N ASP A 723 10.275 -3.542 -5.922 1.00 21.21 N ATOM 132 CA ASP A 723 11.429 -3.018 -5.173 1.00 14.42 C ATOM 133 C ASP A 723 12.191 -4.123 -4.521 1.00 2.23 C ATOM 134 O ASP A 723 13.360 -3.980 -4.203 1.00 44.53 O ATOM 135 CB ASP A 723 10.995 -2.010 -4.134 1.00 22.01 C ATOM 136 CG ASP A 723 10.599 -0.703 -4.732 1.00 24.34 C ATOM 137 OD1 ASP A 723 9.421 -0.547 -5.119 1.00 35.00 O ATOM 138 OD2 ASP A 723 11.452 0.187 -4.823 1.00 14.45 O ATOM 0 H ASP A 723 9.372 -3.388 -5.474 1.00 21.21 H new ATOM 0 HA ASP A 723 12.081 -2.518 -5.889 1.00 14.42 H new ATOM 0 HB2 ASP A 723 10.156 -2.415 -3.568 1.00 22.01 H new ATOM 0 HB3 ASP A 723 11.809 -1.850 -3.427 1.00 22.01 H new ATOM 143 N ARG A 724 11.537 -5.219 -4.337 1.00 74.34 N ATOM 144 CA ARG A 724 12.141 -6.400 -3.833 1.00 71.53 C ATOM 145 C ARG A 724 13.129 -6.943 -4.852 1.00 51.42 C ATOM 146 O ARG A 724 14.182 -7.421 -4.512 1.00 50.42 O ATOM 147 CB ARG A 724 11.057 -7.418 -3.543 1.00 43.43 C ATOM 148 CG ARG A 724 11.533 -8.744 -3.071 1.00 51.24 C ATOM 149 CD ARG A 724 10.366 -9.663 -2.853 1.00 32.25 C ATOM 150 NE ARG A 724 9.539 -9.265 -1.701 1.00 25.13 N ATOM 151 CZ ARG A 724 8.607 -10.054 -1.134 1.00 12.23 C ATOM 152 NH1 ARG A 724 8.375 -11.271 -1.617 1.00 4.43 N ATOM 153 NH2 ARG A 724 7.915 -9.624 -0.095 1.00 53.32 N ATOM 0 H ARG A 724 10.542 -5.319 -4.539 1.00 74.34 H new ATOM 0 HA ARG A 724 12.683 -6.183 -2.912 1.00 71.53 H new ATOM 0 HB2 ARG A 724 10.386 -7.004 -2.791 1.00 43.43 H new ATOM 0 HB3 ARG A 724 10.469 -7.564 -4.449 1.00 43.43 H new ATOM 0 HG2 ARG A 724 12.215 -9.176 -3.804 1.00 51.24 H new ATOM 0 HG3 ARG A 724 12.094 -8.629 -2.143 1.00 51.24 H new ATOM 0 HD2 ARG A 724 9.748 -9.679 -3.751 1.00 32.25 H new ATOM 0 HD3 ARG A 724 10.732 -10.678 -2.700 1.00 32.25 H new ATOM 0 HE ARG A 724 9.681 -8.334 -1.309 1.00 25.13 H new ATOM 0 HH11 ARG A 724 8.904 -11.610 -2.420 1.00 4.43 H new ATOM 0 HH12 ARG A 724 7.668 -11.865 -1.184 1.00 4.43 H new ATOM 0 HH21 ARG A 724 8.086 -8.691 0.281 1.00 53.32 H new ATOM 0 HH22 ARG A 724 7.210 -10.225 0.332 1.00 53.32 H new ATOM 167 N LYS A 725 12.770 -6.867 -6.084 1.00 63.04 N ATOM 168 CA LYS A 725 13.660 -7.256 -7.135 1.00 20.50 C ATOM 169 C LYS A 725 14.669 -6.136 -7.439 1.00 71.52 C ATOM 170 O LYS A 725 15.864 -6.377 -7.559 1.00 73.34 O ATOM 171 CB LYS A 725 12.878 -7.636 -8.397 1.00 51.41 C ATOM 172 CG LYS A 725 11.735 -8.637 -8.153 1.00 61.12 C ATOM 173 CD LYS A 725 12.218 -9.897 -7.431 1.00 40.14 C ATOM 174 CE LYS A 725 13.241 -10.656 -8.251 1.00 3.41 C ATOM 175 NZ LYS A 725 12.670 -11.166 -9.521 1.00 55.24 N ATOM 0 H LYS A 725 11.858 -6.536 -6.398 1.00 63.04 H new ATOM 0 HA LYS A 725 14.215 -8.133 -6.801 1.00 20.50 H new ATOM 0 HB2 LYS A 725 12.464 -6.731 -8.841 1.00 51.41 H new ATOM 0 HB3 LYS A 725 13.569 -8.061 -9.125 1.00 51.41 H new ATOM 0 HG2 LYS A 725 10.954 -8.158 -7.562 1.00 61.12 H new ATOM 0 HG3 LYS A 725 11.288 -8.915 -9.107 1.00 61.12 H new ATOM 0 HD2 LYS A 725 12.654 -9.622 -6.471 1.00 40.14 H new ATOM 0 HD3 LYS A 725 11.367 -10.545 -7.221 1.00 40.14 H new ATOM 0 HE2 LYS A 725 14.086 -10.003 -8.470 1.00 3.41 H new ATOM 0 HE3 LYS A 725 13.627 -11.491 -7.666 1.00 3.41 H new ATOM 0 HZ1 LYS A 725 13.282 -11.917 -9.900 1.00 55.24 H new ATOM 0 HZ2 LYS A 725 11.720 -11.550 -9.345 1.00 55.24 H new ATOM 0 HZ3 LYS A 725 12.607 -10.390 -10.210 1.00 55.24 H new ATOM 189 N GLU A 726 14.169 -4.922 -7.536 1.00 65.14 N ATOM 190 CA GLU A 726 14.972 -3.782 -7.945 1.00 74.05 C ATOM 191 C GLU A 726 15.931 -3.322 -6.835 1.00 2.02 C ATOM 192 O GLU A 726 17.153 -3.390 -6.991 1.00 1.30 O ATOM 193 CB GLU A 726 14.046 -2.626 -8.361 1.00 61.34 C ATOM 194 CG GLU A 726 14.758 -1.366 -8.804 1.00 71.20 C ATOM 195 CD GLU A 726 13.793 -0.279 -9.202 1.00 12.33 C ATOM 196 OE1 GLU A 726 13.215 0.368 -8.309 1.00 31.30 O ATOM 197 OE2 GLU A 726 13.598 -0.066 -10.408 1.00 72.55 O ATOM 0 H GLU A 726 13.195 -4.695 -7.334 1.00 65.14 H new ATOM 0 HA GLU A 726 15.585 -4.090 -8.792 1.00 74.05 H new ATOM 0 HB2 GLU A 726 13.405 -2.968 -9.173 1.00 61.34 H new ATOM 0 HB3 GLU A 726 13.395 -2.382 -7.522 1.00 61.34 H new ATOM 0 HG2 GLU A 726 15.395 -1.007 -7.995 1.00 71.20 H new ATOM 0 HG3 GLU A 726 15.411 -1.596 -9.646 1.00 71.20 H new ATOM 204 N PHE A 727 15.379 -2.877 -5.732 1.00 64.43 N ATOM 205 CA PHE A 727 16.176 -2.313 -4.664 1.00 30.45 C ATOM 206 C PHE A 727 16.814 -3.372 -3.794 1.00 30.42 C ATOM 207 O PHE A 727 18.006 -3.312 -3.511 1.00 41.32 O ATOM 208 CB PHE A 727 15.360 -1.360 -3.809 1.00 44.10 C ATOM 209 CG PHE A 727 16.133 -0.827 -2.633 1.00 42.12 C ATOM 210 CD1 PHE A 727 17.250 -0.034 -2.826 1.00 74.11 C ATOM 211 CD2 PHE A 727 15.751 -1.128 -1.346 1.00 13.31 C ATOM 212 CE1 PHE A 727 17.967 0.446 -1.753 1.00 21.34 C ATOM 213 CE2 PHE A 727 16.461 -0.653 -0.268 1.00 31.15 C ATOM 214 CZ PHE A 727 17.572 0.136 -0.472 1.00 20.41 C ATOM 0 H PHE A 727 14.376 -2.894 -5.548 1.00 64.43 H new ATOM 0 HA PHE A 727 16.979 -1.756 -5.147 1.00 30.45 H new ATOM 0 HB2 PHE A 727 15.021 -0.526 -4.424 1.00 44.10 H new ATOM 0 HB3 PHE A 727 14.468 -1.874 -3.450 1.00 44.10 H new ATOM 0 HD1 PHE A 727 17.563 0.211 -3.830 1.00 74.11 H new ATOM 0 HD2 PHE A 727 14.881 -1.746 -1.180 1.00 13.31 H new ATOM 0 HE1 PHE A 727 18.837 1.064 -1.916 1.00 21.34 H new ATOM 0 HE2 PHE A 727 16.148 -0.898 0.736 1.00 31.15 H new ATOM 0 HZ PHE A 727 18.132 0.510 0.372 1.00 20.41 H new ATOM 224 N ALA A 728 16.020 -4.331 -3.362 1.00 54.00 N ATOM 225 CA ALA A 728 16.485 -5.344 -2.420 1.00 74.34 C ATOM 226 C ALA A 728 17.713 -6.045 -2.915 1.00 22.52 C ATOM 227 O ALA A 728 18.620 -6.253 -2.184 1.00 62.40 O ATOM 228 CB ALA A 728 15.412 -6.331 -2.124 1.00 12.20 C ATOM 0 H ALA A 728 15.046 -4.435 -3.646 1.00 54.00 H new ATOM 0 HA ALA A 728 16.746 -4.825 -1.498 1.00 74.34 H new ATOM 0 HB1 ALA A 728 15.786 -7.074 -1.420 1.00 12.20 H new ATOM 0 HB2 ALA A 728 14.555 -5.817 -1.689 1.00 12.20 H new ATOM 0 HB3 ALA A 728 15.108 -6.826 -3.046 1.00 12.20 H new ATOM 234 N LYS A 729 17.732 -6.383 -4.180 1.00 72.40 N ATOM 235 CA LYS A 729 18.886 -7.073 -4.770 1.00 4.24 C ATOM 236 C LYS A 729 20.139 -6.225 -4.741 1.00 24.31 C ATOM 237 O LYS A 729 21.249 -6.749 -4.787 1.00 1.02 O ATOM 238 CB LYS A 729 18.580 -7.550 -6.169 1.00 52.34 C ATOM 239 CG LYS A 729 17.947 -8.952 -6.247 1.00 14.53 C ATOM 240 CD LYS A 729 16.663 -9.055 -5.425 1.00 55.20 C ATOM 241 CE LYS A 729 16.931 -9.545 -3.995 1.00 20.44 C ATOM 242 NZ LYS A 729 17.347 -10.957 -3.971 1.00 74.13 N ATOM 0 H LYS A 729 16.970 -6.198 -4.832 1.00 72.40 H new ATOM 0 HA LYS A 729 19.083 -7.948 -4.150 1.00 4.24 H new ATOM 0 HB2 LYS A 729 17.907 -6.835 -6.643 1.00 52.34 H new ATOM 0 HB3 LYS A 729 19.503 -7.550 -6.748 1.00 52.34 H new ATOM 0 HG2 LYS A 729 17.730 -9.193 -7.288 1.00 14.53 H new ATOM 0 HG3 LYS A 729 18.664 -9.692 -5.891 1.00 14.53 H new ATOM 0 HD2 LYS A 729 16.177 -8.080 -5.389 1.00 55.20 H new ATOM 0 HD3 LYS A 729 15.971 -9.738 -5.918 1.00 55.20 H new ATOM 0 HE2 LYS A 729 17.707 -8.930 -3.539 1.00 20.44 H new ATOM 0 HE3 LYS A 729 16.031 -9.421 -3.393 1.00 20.44 H new ATOM 0 HZ1 LYS A 729 17.209 -11.343 -3.015 1.00 74.13 H new ATOM 0 HZ2 LYS A 729 16.775 -11.499 -4.649 1.00 74.13 H new ATOM 0 HZ3 LYS A 729 18.351 -11.027 -4.232 1.00 74.13 H new ATOM 256 N PHE A 730 19.968 -4.937 -4.668 1.00 60.12 N ATOM 257 CA PHE A 730 21.078 -4.042 -4.560 1.00 0.32 C ATOM 258 C PHE A 730 21.617 -4.097 -3.165 1.00 0.30 C ATOM 259 O PHE A 730 22.814 -4.277 -2.944 1.00 34.13 O ATOM 260 CB PHE A 730 20.628 -2.629 -4.863 1.00 13.43 C ATOM 261 CG PHE A 730 21.754 -1.655 -5.068 1.00 70.34 C ATOM 262 CD1 PHE A 730 22.465 -1.637 -6.253 1.00 22.11 C ATOM 263 CD2 PHE A 730 22.099 -0.761 -4.071 1.00 13.10 C ATOM 264 CE1 PHE A 730 23.501 -0.741 -6.443 1.00 54.14 C ATOM 265 CE2 PHE A 730 23.132 0.135 -4.253 1.00 75.43 C ATOM 266 CZ PHE A 730 23.834 0.145 -5.441 1.00 65.25 C ATOM 0 H PHE A 730 19.056 -4.480 -4.682 1.00 60.12 H new ATOM 0 HA PHE A 730 21.850 -4.335 -5.271 1.00 0.32 H new ATOM 0 HB2 PHE A 730 20.006 -2.642 -5.758 1.00 13.43 H new ATOM 0 HB3 PHE A 730 20.001 -2.276 -4.044 1.00 13.43 H new ATOM 0 HD1 PHE A 730 22.208 -2.331 -7.040 1.00 22.11 H new ATOM 0 HD2 PHE A 730 21.553 -0.764 -3.139 1.00 13.10 H new ATOM 0 HE1 PHE A 730 24.048 -0.735 -7.374 1.00 54.14 H new ATOM 0 HE2 PHE A 730 23.391 0.828 -3.466 1.00 75.43 H new ATOM 0 HZ PHE A 730 24.643 0.846 -5.585 1.00 65.25 H new ATOM 276 N GLU A 731 20.731 -3.952 -2.225 1.00 42.25 N ATOM 277 CA GLU A 731 21.088 -3.910 -0.852 1.00 24.35 C ATOM 278 C GLU A 731 21.520 -5.298 -0.336 1.00 73.05 C ATOM 279 O GLU A 731 22.339 -5.395 0.562 1.00 41.25 O ATOM 280 CB GLU A 731 19.951 -3.320 -0.018 1.00 14.14 C ATOM 281 CG GLU A 731 18.793 -4.267 0.246 1.00 2.13 C ATOM 282 CD GLU A 731 17.771 -3.679 1.179 1.00 21.54 C ATOM 283 OE1 GLU A 731 18.166 -3.154 2.251 1.00 51.03 O ATOM 284 OE2 GLU A 731 16.557 -3.755 0.870 1.00 52.03 O ATOM 0 H GLU A 731 19.730 -3.859 -2.400 1.00 42.25 H new ATOM 0 HA GLU A 731 21.952 -3.254 -0.747 1.00 24.35 H new ATOM 0 HB2 GLU A 731 20.356 -2.989 0.938 1.00 14.14 H new ATOM 0 HB3 GLU A 731 19.569 -2.435 -0.526 1.00 14.14 H new ATOM 0 HG2 GLU A 731 18.314 -4.522 -0.699 1.00 2.13 H new ATOM 0 HG3 GLU A 731 19.176 -5.195 0.670 1.00 2.13 H new ATOM 291 N GLU A 732 20.951 -6.374 -0.944 1.00 44.44 N ATOM 292 CA GLU A 732 21.298 -7.775 -0.596 1.00 63.32 C ATOM 293 C GLU A 732 22.780 -8.007 -0.660 1.00 70.53 C ATOM 294 O GLU A 732 23.321 -8.795 0.110 1.00 23.25 O ATOM 295 CB GLU A 732 20.582 -8.763 -1.519 1.00 71.21 C ATOM 296 CG GLU A 732 19.136 -9.028 -1.159 1.00 51.14 C ATOM 297 CD GLU A 732 18.989 -9.827 0.107 1.00 1.23 C ATOM 298 OE1 GLU A 732 19.087 -11.073 0.035 1.00 71.15 O ATOM 299 OE2 GLU A 732 18.762 -9.227 1.169 1.00 43.41 O ATOM 0 H GLU A 732 20.248 -6.295 -1.679 1.00 44.44 H new ATOM 0 HA GLU A 732 20.966 -7.942 0.429 1.00 63.32 H new ATOM 0 HB2 GLU A 732 20.625 -8.383 -2.540 1.00 71.21 H new ATOM 0 HB3 GLU A 732 21.124 -9.708 -1.508 1.00 71.21 H new ATOM 0 HG2 GLU A 732 18.614 -8.078 -1.046 1.00 51.14 H new ATOM 0 HG3 GLU A 732 18.654 -9.561 -1.978 1.00 51.14 H new ATOM 306 N GLU A 733 23.442 -7.325 -1.582 1.00 21.43 N ATOM 307 CA GLU A 733 24.896 -7.406 -1.700 1.00 32.03 C ATOM 308 C GLU A 733 25.555 -7.121 -0.373 1.00 54.30 C ATOM 309 O GLU A 733 26.385 -7.886 0.091 1.00 4.34 O ATOM 310 CB GLU A 733 25.408 -6.420 -2.725 1.00 75.32 C ATOM 311 CG GLU A 733 24.947 -6.677 -4.121 1.00 11.23 C ATOM 312 CD GLU A 733 25.548 -5.706 -5.094 1.00 72.14 C ATOM 313 OE1 GLU A 733 26.739 -5.872 -5.444 1.00 43.53 O ATOM 314 OE2 GLU A 733 24.852 -4.767 -5.513 1.00 13.22 O ATOM 0 H GLU A 733 22.998 -6.708 -2.262 1.00 21.43 H new ATOM 0 HA GLU A 733 25.144 -8.418 -2.019 1.00 32.03 H new ATOM 0 HB2 GLU A 733 25.096 -5.417 -2.432 1.00 75.32 H new ATOM 0 HB3 GLU A 733 26.498 -6.432 -2.709 1.00 75.32 H new ATOM 0 HG2 GLU A 733 25.214 -7.694 -4.410 1.00 11.23 H new ATOM 0 HG3 GLU A 733 23.860 -6.608 -4.163 1.00 11.23 H new ATOM 321 N ARG A 734 25.185 -6.015 0.222 1.00 3.20 N ATOM 322 CA ARG A 734 25.741 -5.599 1.487 1.00 64.02 C ATOM 323 C ARG A 734 25.071 -6.309 2.654 1.00 63.20 C ATOM 324 O ARG A 734 25.730 -6.702 3.606 1.00 60.32 O ATOM 325 CB ARG A 734 25.640 -4.086 1.641 1.00 1.22 C ATOM 326 CG ARG A 734 26.388 -3.328 0.571 1.00 55.24 C ATOM 327 CD ARG A 734 27.845 -3.726 0.558 1.00 4.01 C ATOM 328 NE ARG A 734 28.569 -3.165 -0.576 1.00 11.44 N ATOM 329 CZ ARG A 734 29.891 -3.087 -0.650 1.00 41.20 C ATOM 330 NH1 ARG A 734 30.643 -3.456 0.390 1.00 23.22 N ATOM 331 NH2 ARG A 734 30.469 -2.628 -1.752 1.00 30.24 N ATOM 0 H ARG A 734 24.487 -5.375 -0.158 1.00 3.20 H new ATOM 0 HA ARG A 734 26.794 -5.880 1.497 1.00 64.02 H new ATOM 0 HB2 ARG A 734 24.590 -3.794 1.617 1.00 1.22 H new ATOM 0 HB3 ARG A 734 26.028 -3.800 2.619 1.00 1.22 H new ATOM 0 HG2 ARG A 734 25.942 -3.528 -0.403 1.00 55.24 H new ATOM 0 HG3 ARG A 734 26.300 -2.256 0.748 1.00 55.24 H new ATOM 0 HD2 ARG A 734 28.316 -3.397 1.484 1.00 4.01 H new ATOM 0 HD3 ARG A 734 27.921 -4.813 0.531 1.00 4.01 H new ATOM 0 HE ARG A 734 28.025 -2.810 -1.362 1.00 11.44 H new ATOM 0 HH11 ARG A 734 30.201 -3.799 1.243 1.00 23.22 H new ATOM 0 HH12 ARG A 734 31.660 -3.395 0.331 1.00 23.22 H new ATOM 0 HH21 ARG A 734 29.897 -2.335 -2.544 1.00 30.24 H new ATOM 0 HH22 ARG A 734 31.486 -2.568 -1.808 1.00 30.24 H new ATOM 345 N ALA A 735 23.773 -6.474 2.561 1.00 2.21 N ATOM 346 CA ALA A 735 22.987 -7.077 3.622 1.00 23.44 C ATOM 347 C ALA A 735 23.396 -8.521 3.871 1.00 41.14 C ATOM 348 O ALA A 735 23.716 -8.897 4.987 1.00 70.10 O ATOM 349 CB ALA A 735 21.508 -6.991 3.294 1.00 13.14 C ATOM 0 H ALA A 735 23.226 -6.194 1.747 1.00 2.21 H new ATOM 0 HA ALA A 735 23.179 -6.519 4.538 1.00 23.44 H new ATOM 0 HB1 ALA A 735 20.930 -7.447 4.098 1.00 13.14 H new ATOM 0 HB2 ALA A 735 21.219 -5.945 3.187 1.00 13.14 H new ATOM 0 HB3 ALA A 735 21.311 -7.519 2.361 1.00 13.14 H new ATOM 355 N ARG A 736 23.413 -9.314 2.822 1.00 24.14 N ATOM 356 CA ARG A 736 23.727 -10.717 2.933 1.00 74.53 C ATOM 357 C ARG A 736 25.229 -10.917 3.180 1.00 23.42 C ATOM 358 O ARG A 736 25.665 -11.986 3.575 1.00 12.42 O ATOM 359 CB ARG A 736 23.311 -11.421 1.664 1.00 32.03 C ATOM 360 CG ARG A 736 23.278 -12.914 1.753 1.00 71.31 C ATOM 361 CD ARG A 736 22.996 -13.510 0.401 1.00 60.44 C ATOM 362 NE ARG A 736 21.763 -12.973 -0.183 1.00 42.24 N ATOM 363 CZ ARG A 736 21.458 -13.006 -1.477 1.00 4.23 C ATOM 364 NH1 ARG A 736 22.223 -13.672 -2.329 1.00 30.14 N ATOM 365 NH2 ARG A 736 20.375 -12.399 -1.906 1.00 60.32 N ATOM 0 H ARG A 736 23.210 -9.003 1.872 1.00 24.14 H new ATOM 0 HA ARG A 736 23.184 -11.138 3.779 1.00 74.53 H new ATOM 0 HB2 ARG A 736 22.321 -11.067 1.377 1.00 32.03 H new ATOM 0 HB3 ARG A 736 23.996 -11.134 0.866 1.00 32.03 H new ATOM 0 HG2 ARG A 736 24.232 -13.284 2.130 1.00 71.31 H new ATOM 0 HG3 ARG A 736 22.512 -13.226 2.463 1.00 71.31 H new ATOM 0 HD2 ARG A 736 23.833 -13.308 -0.267 1.00 60.44 H new ATOM 0 HD3 ARG A 736 22.914 -14.593 0.491 1.00 60.44 H new ATOM 0 HE ARG A 736 21.089 -12.542 0.450 1.00 42.24 H new ATOM 0 HH11 ARG A 736 23.052 -14.163 -1.994 1.00 30.14 H new ATOM 0 HH12 ARG A 736 21.983 -13.693 -3.320 1.00 30.14 H new ATOM 0 HH21 ARG A 736 19.772 -11.905 -1.248 1.00 60.32 H new ATOM 0 HH22 ARG A 736 20.137 -12.421 -2.898 1.00 60.32 H new ATOM 379 N ALA A 737 25.998 -9.868 2.958 1.00 4.30 N ATOM 380 CA ALA A 737 27.443 -9.907 3.149 1.00 14.31 C ATOM 381 C ALA A 737 27.796 -9.936 4.612 1.00 25.02 C ATOM 382 O ALA A 737 28.912 -10.274 4.983 1.00 44.22 O ATOM 383 CB ALA A 737 28.061 -8.696 2.525 1.00 43.14 C ATOM 0 H ALA A 737 25.644 -8.965 2.641 1.00 4.30 H new ATOM 0 HA ALA A 737 27.824 -10.814 2.679 1.00 14.31 H new ATOM 0 HB1 ALA A 737 29.141 -8.724 2.667 1.00 43.14 H new ATOM 0 HB2 ALA A 737 27.836 -8.681 1.459 1.00 43.14 H new ATOM 0 HB3 ALA A 737 27.657 -7.799 2.994 1.00 43.14 H new ATOM 389 N LYS A 738 26.855 -9.583 5.425 1.00 20.31 N ATOM 390 CA LYS A 738 27.089 -9.411 6.821 1.00 23.12 C ATOM 391 C LYS A 738 26.039 -10.140 7.625 1.00 15.42 C ATOM 392 O LYS A 738 26.340 -10.784 8.625 1.00 5.13 O ATOM 393 CB LYS A 738 27.068 -7.908 7.160 1.00 53.21 C ATOM 394 CG LYS A 738 28.097 -7.072 6.403 1.00 44.25 C ATOM 395 CD LYS A 738 27.884 -5.572 6.628 1.00 53.54 C ATOM 396 CE LYS A 738 26.481 -5.138 6.197 1.00 10.24 C ATOM 397 NZ LYS A 738 26.315 -3.669 6.226 1.00 24.43 N ATOM 0 H LYS A 738 25.893 -9.404 5.136 1.00 20.31 H new ATOM 0 HA LYS A 738 28.064 -9.827 7.074 1.00 23.12 H new ATOM 0 HB2 LYS A 738 26.073 -7.515 6.949 1.00 53.21 H new ATOM 0 HB3 LYS A 738 27.238 -7.788 8.230 1.00 53.21 H new ATOM 0 HG2 LYS A 738 29.100 -7.350 6.726 1.00 44.25 H new ATOM 0 HG3 LYS A 738 28.033 -7.293 5.338 1.00 44.25 H new ATOM 0 HD2 LYS A 738 28.032 -5.336 7.682 1.00 53.54 H new ATOM 0 HD3 LYS A 738 28.630 -5.009 6.067 1.00 53.54 H new ATOM 0 HE2 LYS A 738 26.283 -5.504 5.190 1.00 10.24 H new ATOM 0 HE3 LYS A 738 25.743 -5.598 6.854 1.00 10.24 H new ATOM 0 HZ1 LYS A 738 25.350 -3.423 5.927 1.00 24.43 H new ATOM 0 HZ2 LYS A 738 26.477 -3.320 7.192 1.00 24.43 H new ATOM 0 HZ3 LYS A 738 27.001 -3.229 5.580 1.00 24.43 H new ATOM 411 N TRP A 739 24.804 -10.053 7.169 1.00 21.21 N ATOM 412 CA TRP A 739 23.672 -10.595 7.891 1.00 15.13 C ATOM 413 C TRP A 739 22.843 -11.474 6.984 1.00 40.00 C ATOM 414 O TRP A 739 21.611 -11.349 6.926 1.00 31.11 O ATOM 415 CB TRP A 739 22.815 -9.452 8.422 1.00 74.21 C ATOM 416 CG TRP A 739 23.589 -8.477 9.243 1.00 12.13 C ATOM 417 CD1 TRP A 739 24.443 -7.531 8.780 1.00 63.51 C ATOM 418 CD2 TRP A 739 23.583 -8.352 10.665 1.00 64.41 C ATOM 419 NE1 TRP A 739 24.999 -6.852 9.808 1.00 61.21 N ATOM 420 CE2 TRP A 739 24.479 -7.321 10.987 1.00 20.13 C ATOM 421 CE3 TRP A 739 22.913 -9.013 11.698 1.00 42.13 C ATOM 422 CZ2 TRP A 739 24.726 -6.929 12.299 1.00 1.44 C ATOM 423 CZ3 TRP A 739 23.158 -8.623 13.000 1.00 20.54 C ATOM 424 CH2 TRP A 739 24.056 -7.589 13.290 1.00 4.24 C ATOM 0 H TRP A 739 24.559 -9.604 6.287 1.00 21.21 H new ATOM 0 HA TRP A 739 24.037 -11.197 8.723 1.00 15.13 H new ATOM 0 HB2 TRP A 739 22.356 -8.929 7.583 1.00 74.21 H new ATOM 0 HB3 TRP A 739 22.004 -9.862 9.024 1.00 74.21 H new ATOM 0 HD1 TRP A 739 24.650 -7.346 7.736 1.00 63.51 H new ATOM 0 HE1 TRP A 739 25.694 -6.110 9.721 1.00 61.21 H new ATOM 0 HE3 TRP A 739 22.219 -9.812 11.483 1.00 42.13 H new ATOM 0 HZ2 TRP A 739 25.421 -6.134 12.525 1.00 1.44 H new ATOM 0 HZ3 TRP A 739 22.648 -9.125 13.809 1.00 20.54 H new ATOM 0 HH2 TRP A 739 24.223 -7.307 14.319 1.00 4.24 H new ATOM 435 N ASP A 740 23.508 -12.353 6.279 1.00 74.42 N ATOM 436 CA ASP A 740 22.851 -13.309 5.386 1.00 2.24 C ATOM 437 C ASP A 740 21.736 -14.085 6.107 1.00 24.01 C ATOM 438 O ASP A 740 20.668 -14.323 5.540 1.00 41.50 O ATOM 439 CB ASP A 740 23.885 -14.287 4.772 1.00 34.31 C ATOM 440 CG ASP A 740 24.388 -15.362 5.733 1.00 52.42 C ATOM 441 OD1 ASP A 740 25.120 -15.021 6.691 1.00 52.33 O ATOM 442 OD2 ASP A 740 24.065 -16.547 5.524 1.00 43.20 O ATOM 0 H ASP A 740 24.524 -12.437 6.299 1.00 74.42 H new ATOM 0 HA ASP A 740 22.389 -12.739 4.580 1.00 2.24 H new ATOM 0 HB2 ASP A 740 23.437 -14.773 3.906 1.00 34.31 H new ATOM 0 HB3 ASP A 740 24.738 -13.713 4.410 1.00 34.31 H new ATOM 447 N THR A 741 21.968 -14.423 7.355 1.00 63.52 N ATOM 448 CA THR A 741 21.017 -15.192 8.118 1.00 2.32 C ATOM 449 C THR A 741 19.887 -14.289 8.668 1.00 31.35 C ATOM 450 O THR A 741 18.843 -14.772 9.093 1.00 75.43 O ATOM 451 CB THR A 741 21.720 -15.960 9.303 1.00 10.55 C ATOM 452 OG1 THR A 741 20.848 -16.965 9.824 1.00 52.35 O ATOM 453 CG2 THR A 741 22.109 -15.003 10.429 1.00 51.45 C ATOM 0 H THR A 741 22.815 -14.174 7.865 1.00 63.52 H new ATOM 0 HA THR A 741 20.579 -15.928 7.444 1.00 2.32 H new ATOM 0 HB THR A 741 22.624 -16.423 8.908 1.00 10.55 H new ATOM 0 HG1 THR A 741 19.924 -16.640 9.800 1.00 52.35 H new ATOM 0 HG21 THR A 741 22.591 -15.562 11.231 1.00 51.45 H new ATOM 0 HG22 THR A 741 22.798 -14.251 10.045 1.00 51.45 H new ATOM 0 HG23 THR A 741 21.215 -14.513 10.815 1.00 51.45 H new ATOM 461 N ALA A 742 20.103 -12.979 8.624 1.00 34.45 N ATOM 462 CA ALA A 742 19.166 -12.031 9.232 1.00 33.40 C ATOM 463 C ALA A 742 18.229 -11.421 8.197 1.00 73.54 C ATOM 464 O ALA A 742 17.181 -10.860 8.542 1.00 50.02 O ATOM 465 CB ALA A 742 19.919 -10.942 9.979 1.00 41.10 C ATOM 0 H ALA A 742 20.912 -12.548 8.178 1.00 34.45 H new ATOM 0 HA ALA A 742 18.553 -12.585 9.943 1.00 33.40 H new ATOM 0 HB1 ALA A 742 19.207 -10.247 10.424 1.00 41.10 H new ATOM 0 HB2 ALA A 742 20.526 -11.392 10.765 1.00 41.10 H new ATOM 0 HB3 ALA A 742 20.565 -10.405 9.285 1.00 41.10 H new ATOM 471 N ASN A 743 18.599 -11.521 6.950 1.00 10.11 N ATOM 472 CA ASN A 743 17.768 -10.989 5.865 1.00 21.31 C ATOM 473 C ASN A 743 17.074 -12.084 5.152 1.00 34.12 C ATOM 474 O ASN A 743 15.928 -11.941 4.727 1.00 11.43 O ATOM 475 CB ASN A 743 18.618 -10.213 4.854 1.00 30.23 C ATOM 476 CG ASN A 743 19.194 -8.953 5.406 1.00 30.13 C ATOM 477 OD1 ASN A 743 18.582 -7.890 5.329 1.00 43.41 O ATOM 478 ND2 ASN A 743 20.361 -9.049 5.957 1.00 32.34 N ATOM 0 H ASN A 743 19.466 -11.962 6.644 1.00 10.11 H new ATOM 0 HA ASN A 743 17.036 -10.320 6.316 1.00 21.31 H new ATOM 0 HB2 ASN A 743 19.429 -10.853 4.506 1.00 30.23 H new ATOM 0 HB3 ASN A 743 18.006 -9.973 3.984 1.00 30.23 H new ATOM 0 HD21 ASN A 743 20.809 -8.221 6.350 1.00 32.34 H new ATOM 0 HD22 ASN A 743 20.833 -9.953 5.999 1.00 32.34 H new ATOM 485 N ASN A 744 17.744 -13.176 5.017 1.00 55.21 N ATOM 486 CA ASN A 744 17.270 -14.245 4.220 1.00 24.43 C ATOM 487 C ASN A 744 16.816 -15.390 5.082 1.00 52.14 C ATOM 488 O ASN A 744 17.521 -15.787 6.021 1.00 33.42 O ATOM 489 CB ASN A 744 18.387 -14.728 3.292 1.00 43.20 C ATOM 490 CG ASN A 744 18.938 -13.649 2.363 1.00 24.33 C ATOM 491 OD1 ASN A 744 20.109 -13.667 2.026 1.00 64.12 O ATOM 492 ND2 ASN A 744 18.106 -12.725 1.951 1.00 74.12 N ATOM 0 H ASN A 744 18.645 -13.350 5.463 1.00 55.21 H new ATOM 0 HA ASN A 744 16.424 -13.888 3.632 1.00 24.43 H new ATOM 0 HB2 ASN A 744 19.203 -15.121 3.898 1.00 43.20 H new ATOM 0 HB3 ASN A 744 18.011 -15.554 2.689 1.00 43.20 H new ATOM 0 HD21 ASN A 744 18.432 -11.987 1.326 1.00 74.12 H new ATOM 0 HD22 ASN A 744 17.132 -12.743 2.255 1.00 74.12 H new ATOM 499 N PRO A 745 15.628 -15.955 4.791 1.00 44.23 N ATOM 500 CA PRO A 745 15.148 -17.169 5.464 1.00 23.21 C ATOM 501 C PRO A 745 16.015 -18.371 5.078 1.00 23.02 C ATOM 502 O PRO A 745 16.052 -19.383 5.770 1.00 65.34 O ATOM 503 CB PRO A 745 13.717 -17.341 4.923 1.00 11.15 C ATOM 504 CG PRO A 745 13.695 -16.582 3.638 1.00 71.35 C ATOM 505 CD PRO A 745 14.657 -15.443 3.802 1.00 44.11 C ATOM 0 HA PRO A 745 15.185 -17.097 6.551 1.00 23.21 H new ATOM 0 HB2 PRO A 745 13.479 -18.393 4.764 1.00 11.15 H new ATOM 0 HB3 PRO A 745 12.980 -16.950 5.625 1.00 11.15 H new ATOM 0 HG2 PRO A 745 13.988 -17.221 2.805 1.00 71.35 H new ATOM 0 HG3 PRO A 745 12.692 -16.215 3.421 1.00 71.35 H new ATOM 0 HD2 PRO A 745 15.141 -15.187 2.859 1.00 44.11 H new ATOM 0 HD3 PRO A 745 14.157 -14.543 4.159 1.00 44.11 H new ATOM 513 N LEU A 746 16.694 -18.225 3.962 1.00 32.13 N ATOM 514 CA LEU A 746 17.641 -19.183 3.463 1.00 21.30 C ATOM 515 C LEU A 746 18.384 -18.577 2.336 1.00 63.54 C ATOM 516 O LEU A 746 19.616 -18.579 2.305 1.00 31.12 O ATOM 517 CB LEU A 746 16.942 -20.475 3.012 1.00 34.33 C ATOM 518 CG LEU A 746 17.830 -21.523 2.342 1.00 65.54 C ATOM 519 CD1 LEU A 746 18.974 -21.926 3.261 1.00 32.14 C ATOM 520 CD2 LEU A 746 17.011 -22.735 1.944 1.00 32.02 C ATOM 0 H LEU A 746 16.595 -17.407 3.361 1.00 32.13 H new ATOM 0 HA LEU A 746 18.332 -19.449 4.263 1.00 21.30 H new ATOM 0 HB2 LEU A 746 16.470 -20.931 3.882 1.00 34.33 H new ATOM 0 HB3 LEU A 746 16.143 -20.209 2.319 1.00 34.33 H new ATOM 0 HG LEU A 746 18.257 -21.085 1.440 1.00 65.54 H new ATOM 0 HD11 LEU A 746 19.594 -22.673 2.765 1.00 32.14 H new ATOM 0 HD12 LEU A 746 19.579 -21.050 3.495 1.00 32.14 H new ATOM 0 HD13 LEU A 746 18.570 -22.345 4.183 1.00 32.14 H new ATOM 0 HD21 LEU A 746 17.659 -23.471 1.468 1.00 32.02 H new ATOM 0 HD22 LEU A 746 16.554 -23.173 2.832 1.00 32.02 H new ATOM 0 HD23 LEU A 746 16.230 -22.433 1.246 1.00 32.02 H new ATOM 556 N LYS A 748 16.209 -16.842 -0.722 1.00 71.11 N ATOM 557 CA LYS A 748 15.265 -16.027 -1.386 1.00 11.30 C ATOM 558 C LYS A 748 13.875 -16.264 -0.791 1.00 31.43 C ATOM 559 O LYS A 748 13.737 -16.986 0.179 1.00 1.51 O ATOM 560 CB LYS A 748 15.271 -16.401 -2.856 1.00 24.10 C ATOM 561 CG LYS A 748 16.582 -16.165 -3.583 1.00 21.43 C ATOM 562 CD LYS A 748 17.092 -14.764 -3.380 1.00 33.41 C ATOM 563 CE LYS A 748 18.429 -14.568 -4.055 1.00 62.15 C ATOM 564 NZ LYS A 748 18.350 -14.797 -5.507 1.00 44.25 N ATOM 0 HA LYS A 748 15.519 -14.974 -1.267 1.00 11.30 H new ATOM 0 HB2 LYS A 748 15.010 -17.455 -2.946 1.00 24.10 H new ATOM 0 HB3 LYS A 748 14.488 -15.835 -3.361 1.00 24.10 H new ATOM 0 HG2 LYS A 748 17.327 -16.877 -3.229 1.00 21.43 H new ATOM 0 HG3 LYS A 748 16.445 -16.351 -4.648 1.00 21.43 H new ATOM 0 HD2 LYS A 748 16.372 -14.050 -3.779 1.00 33.41 H new ATOM 0 HD3 LYS A 748 17.186 -14.559 -2.314 1.00 33.41 H new ATOM 0 HE2 LYS A 748 18.786 -13.556 -3.866 1.00 62.15 H new ATOM 0 HE3 LYS A 748 19.159 -15.250 -3.619 1.00 62.15 H new ATOM 0 HZ1 LYS A 748 19.216 -14.444 -5.962 1.00 44.25 H new ATOM 0 HZ2 LYS A 748 18.251 -15.815 -5.693 1.00 44.25 H new ATOM 0 HZ3 LYS A 748 17.526 -14.293 -5.894 1.00 44.25 H new ATOM 578 N GLU A 749 12.863 -15.670 -1.367 1.00 33.13 N ATOM 579 CA GLU A 749 11.503 -15.853 -0.862 1.00 61.44 C ATOM 580 C GLU A 749 10.969 -17.261 -1.189 1.00 23.24 C ATOM 581 O GLU A 749 10.394 -17.941 -0.328 1.00 53.02 O ATOM 582 CB GLU A 749 10.546 -14.773 -1.414 1.00 2.11 C ATOM 583 CG GLU A 749 10.405 -14.768 -2.930 1.00 63.00 C ATOM 584 CD GLU A 749 9.305 -13.870 -3.404 1.00 73.25 C ATOM 585 OE1 GLU A 749 9.551 -12.663 -3.580 1.00 33.32 O ATOM 586 OE2 GLU A 749 8.175 -14.365 -3.603 1.00 61.23 O ATOM 0 H GLU A 749 12.940 -15.058 -2.180 1.00 33.13 H new ATOM 0 HA GLU A 749 11.546 -15.747 0.222 1.00 61.44 H new ATOM 0 HB2 GLU A 749 9.561 -14.918 -0.971 1.00 2.11 H new ATOM 0 HB3 GLU A 749 10.899 -13.794 -1.092 1.00 2.11 H new ATOM 0 HG2 GLU A 749 11.347 -14.450 -3.378 1.00 63.00 H new ATOM 0 HG3 GLU A 749 10.214 -15.784 -3.277 1.00 63.00 H new ATOM 593 N ALA A 750 11.200 -17.703 -2.412 1.00 33.32 N ATOM 594 CA ALA A 750 10.633 -18.947 -2.891 1.00 33.05 C ATOM 595 C ALA A 750 11.489 -20.148 -2.513 1.00 72.50 C ATOM 596 O ALA A 750 11.061 -21.288 -2.653 1.00 3.52 O ATOM 597 CB ALA A 750 10.415 -18.891 -4.397 1.00 10.00 C ATOM 0 H ALA A 750 11.780 -17.214 -3.094 1.00 33.32 H new ATOM 0 HA ALA A 750 9.667 -19.074 -2.402 1.00 33.05 H new ATOM 0 HB1 ALA A 750 9.989 -19.834 -4.738 1.00 10.00 H new ATOM 0 HB2 ALA A 750 9.731 -18.076 -4.636 1.00 10.00 H new ATOM 0 HB3 ALA A 750 11.369 -18.722 -4.897 1.00 10.00 H new ATOM 603 N THR A 751 12.679 -19.890 -2.021 1.00 13.10 N ATOM 604 CA THR A 751 13.598 -20.954 -1.652 1.00 23.45 C ATOM 605 C THR A 751 13.057 -21.752 -0.451 1.00 51.03 C ATOM 606 O THR A 751 13.363 -22.925 -0.281 1.00 43.03 O ATOM 607 CB THR A 751 14.979 -20.382 -1.292 1.00 14.53 C ATOM 608 OG1 THR A 751 15.320 -19.357 -2.222 1.00 64.13 O ATOM 609 CG2 THR A 751 16.038 -21.467 -1.344 1.00 21.22 C ATOM 0 H THR A 751 13.039 -18.949 -1.865 1.00 13.10 H new ATOM 0 HA THR A 751 13.695 -21.617 -2.512 1.00 23.45 H new ATOM 0 HB THR A 751 14.936 -19.978 -0.281 1.00 14.53 H new ATOM 0 HG1 THR A 751 16.206 -19.000 -2.004 1.00 64.13 H new ATOM 0 HG21 THR A 751 17.008 -21.042 -1.086 1.00 21.22 H new ATOM 0 HG22 THR A 751 15.787 -22.255 -0.634 1.00 21.22 H new ATOM 0 HG23 THR A 751 16.081 -21.885 -2.350 1.00 21.22 H new ATOM 617 N SER A 752 12.256 -21.109 0.358 1.00 65.21 N ATOM 618 CA SER A 752 11.715 -21.740 1.527 1.00 72.22 C ATOM 619 C SER A 752 10.327 -22.355 1.249 1.00 74.24 C ATOM 620 O SER A 752 9.915 -23.300 1.915 1.00 21.21 O ATOM 621 CB SER A 752 11.643 -20.739 2.668 1.00 54.53 C ATOM 622 OG SER A 752 12.923 -20.136 2.892 1.00 12.21 O ATOM 0 H SER A 752 11.964 -20.141 0.224 1.00 65.21 H new ATOM 0 HA SER A 752 12.379 -22.556 1.812 1.00 72.22 H new ATOM 0 HB2 SER A 752 10.908 -19.968 2.437 1.00 54.53 H new ATOM 0 HB3 SER A 752 11.306 -21.239 3.576 1.00 54.53 H new ATOM 0 HG SER A 752 13.218 -20.325 3.807 1.00 12.21 H new ATOM 628 N THR A 753 9.626 -21.825 0.262 1.00 5.43 N ATOM 629 CA THR A 753 8.290 -22.306 -0.045 1.00 25.02 C ATOM 630 C THR A 753 8.327 -23.445 -1.101 1.00 65.03 C ATOM 631 O THR A 753 7.413 -24.285 -1.168 1.00 72.32 O ATOM 632 CB THR A 753 7.335 -21.142 -0.510 1.00 5.50 C ATOM 633 OG1 THR A 753 5.996 -21.623 -0.650 1.00 14.32 O ATOM 634 CG2 THR A 753 7.793 -20.545 -1.828 1.00 63.12 C ATOM 0 H THR A 753 9.956 -21.068 -0.336 1.00 5.43 H new ATOM 0 HA THR A 753 7.881 -22.714 0.880 1.00 25.02 H new ATOM 0 HB THR A 753 7.368 -20.366 0.254 1.00 5.50 H new ATOM 0 HG1 THR A 753 5.413 -20.889 -0.938 1.00 14.32 H new ATOM 0 HG21 THR A 753 7.113 -19.745 -2.121 1.00 63.12 H new ATOM 0 HG22 THR A 753 8.800 -20.142 -1.715 1.00 63.12 H new ATOM 0 HG23 THR A 753 7.796 -21.318 -2.596 1.00 63.12 H new ATOM 642 N PHE A 754 9.377 -23.469 -1.901 1.00 61.51 N ATOM 643 CA PHE A 754 9.549 -24.508 -2.891 1.00 10.32 C ATOM 644 C PHE A 754 10.818 -25.284 -2.621 1.00 25.05 C ATOM 645 O PHE A 754 11.579 -24.949 -1.699 1.00 11.20 O ATOM 646 CB PHE A 754 9.591 -23.921 -4.308 1.00 42.21 C ATOM 647 CG PHE A 754 8.360 -23.164 -4.710 1.00 61.45 C ATOM 648 CD1 PHE A 754 7.102 -23.728 -4.567 1.00 53.44 C ATOM 649 CD2 PHE A 754 8.462 -21.893 -5.237 1.00 14.15 C ATOM 650 CE1 PHE A 754 5.971 -23.033 -4.943 1.00 53.10 C ATOM 651 CE2 PHE A 754 7.334 -21.189 -5.615 1.00 73.30 C ATOM 652 CZ PHE A 754 6.087 -21.760 -5.467 1.00 63.24 C ATOM 0 H PHE A 754 10.125 -22.776 -1.882 1.00 61.51 H new ATOM 0 HA PHE A 754 8.694 -25.180 -2.822 1.00 10.32 H new ATOM 0 HB2 PHE A 754 10.451 -23.256 -4.386 1.00 42.21 H new ATOM 0 HB3 PHE A 754 9.750 -24.732 -5.018 1.00 42.21 H new ATOM 0 HD1 PHE A 754 7.006 -24.722 -4.157 1.00 53.44 H new ATOM 0 HD2 PHE A 754 9.436 -21.442 -5.356 1.00 14.15 H new ATOM 0 HE1 PHE A 754 4.996 -23.484 -4.828 1.00 53.10 H new ATOM 0 HE2 PHE A 754 7.429 -20.194 -6.025 1.00 73.30 H new ATOM 0 HZ PHE A 754 5.203 -21.213 -5.760 1.00 63.24 H new ATOM 662 N THR A 755 11.055 -26.291 -3.405 1.00 12.52 N ATOM 663 CA THR A 755 12.226 -27.107 -3.246 1.00 23.24 C ATOM 664 C THR A 755 13.220 -26.862 -4.391 1.00 60.42 C ATOM 665 O THR A 755 14.443 -26.972 -4.209 1.00 14.21 O ATOM 666 CB THR A 755 11.866 -28.632 -3.152 1.00 21.32 C ATOM 667 OG1 THR A 755 13.050 -29.407 -2.945 1.00 25.45 O ATOM 668 CG2 THR A 755 11.159 -29.118 -4.415 1.00 42.43 C ATOM 0 H THR A 755 10.445 -26.572 -4.173 1.00 12.52 H new ATOM 0 HA THR A 755 12.696 -26.819 -2.305 1.00 23.24 H new ATOM 0 HB THR A 755 11.189 -28.759 -2.307 1.00 21.32 H new ATOM 0 HG1 THR A 755 12.814 -30.356 -2.886 1.00 25.45 H new ATOM 0 HG21 THR A 755 10.924 -30.178 -4.316 1.00 42.43 H new ATOM 0 HG22 THR A 755 10.237 -28.554 -4.556 1.00 42.43 H new ATOM 0 HG23 THR A 755 11.810 -28.970 -5.276 1.00 42.43 H new ATOM 676 N ASN A 756 12.698 -26.513 -5.556 1.00 52.40 N ATOM 677 CA ASN A 756 13.526 -26.240 -6.707 1.00 22.13 C ATOM 678 C ASN A 756 12.839 -25.296 -7.659 1.00 53.02 C ATOM 679 O ASN A 756 11.774 -25.599 -8.194 1.00 5.33 O ATOM 680 CB ASN A 756 13.904 -27.534 -7.436 1.00 53.44 C ATOM 681 CG ASN A 756 14.879 -27.283 -8.577 1.00 4.41 C ATOM 682 OD1 ASN A 756 16.099 -27.273 -8.376 1.00 61.41 O ATOM 683 ND2 ASN A 756 14.362 -27.085 -9.765 1.00 25.42 N ATOM 0 H ASN A 756 11.697 -26.413 -5.724 1.00 52.40 H new ATOM 0 HA ASN A 756 14.438 -25.766 -6.345 1.00 22.13 H new ATOM 0 HB2 ASN A 756 14.348 -28.233 -6.727 1.00 53.44 H new ATOM 0 HB3 ASN A 756 13.003 -28.006 -7.827 1.00 53.44 H new ATOM 0 HD21 ASN A 756 14.972 -26.915 -10.565 1.00 25.42 H new ATOM 0 HD22 ASN A 756 13.350 -27.101 -9.890 1.00 25.42 H new ATOM 690 N ILE A 757 13.422 -24.145 -7.843 1.00 14.34 N ATOM 691 CA ILE A 757 12.955 -23.200 -8.833 1.00 42.22 C ATOM 692 C ILE A 757 14.158 -22.611 -9.553 1.00 63.24 C ATOM 693 O ILE A 757 15.254 -22.575 -8.993 1.00 4.35 O ATOM 694 CB ILE A 757 12.083 -22.016 -8.221 1.00 70.44 C ATOM 695 CG1 ILE A 757 11.567 -22.321 -6.784 1.00 3.12 C ATOM 696 CG2 ILE A 757 10.902 -21.728 -9.132 1.00 11.51 C ATOM 697 CD1 ILE A 757 12.622 -22.267 -5.693 1.00 74.02 C ATOM 0 H ILE A 757 14.235 -23.830 -7.314 1.00 14.34 H new ATOM 0 HA ILE A 757 12.305 -23.747 -9.516 1.00 42.22 H new ATOM 0 HB ILE A 757 12.735 -21.145 -8.150 1.00 70.44 H new ATOM 0 HG12 ILE A 757 10.778 -21.610 -6.540 1.00 3.12 H new ATOM 0 HG13 ILE A 757 11.114 -23.313 -6.781 1.00 3.12 H new ATOM 0 HG21 ILE A 757 10.307 -20.918 -8.711 1.00 11.51 H new ATOM 0 HG22 ILE A 757 11.265 -21.437 -10.118 1.00 11.51 H new ATOM 0 HG23 ILE A 757 10.285 -22.622 -9.222 1.00 11.51 H new ATOM 0 HD11 ILE A 757 12.162 -22.494 -4.731 1.00 74.02 H new ATOM 0 HD12 ILE A 757 13.402 -22.999 -5.904 1.00 74.02 H new ATOM 0 HD13 ILE A 757 13.060 -21.270 -5.660 1.00 74.02 H new ATOM 709 N THR A 758 13.969 -22.158 -10.775 1.00 24.04 N ATOM 710 CA THR A 758 15.079 -21.666 -11.568 1.00 3.13 C ATOM 711 C THR A 758 15.658 -20.335 -11.004 1.00 1.11 C ATOM 712 O THR A 758 16.864 -20.120 -11.035 1.00 4.52 O ATOM 713 CB THR A 758 14.723 -21.539 -13.093 1.00 33.51 C ATOM 714 OG1 THR A 758 15.919 -21.397 -13.860 1.00 52.43 O ATOM 715 CG2 THR A 758 13.817 -20.353 -13.363 1.00 73.11 C ATOM 0 H THR A 758 13.062 -22.120 -11.240 1.00 24.04 H new ATOM 0 HA THR A 758 15.863 -22.420 -11.490 1.00 3.13 H new ATOM 0 HB THR A 758 14.194 -22.447 -13.383 1.00 33.51 H new ATOM 0 HG1 THR A 758 15.691 -21.320 -14.810 1.00 52.43 H new ATOM 0 HG21 THR A 758 13.594 -20.300 -14.429 1.00 73.11 H new ATOM 0 HG22 THR A 758 12.889 -20.470 -12.804 1.00 73.11 H new ATOM 0 HG23 THR A 758 14.316 -19.436 -13.051 1.00 73.11 H new ATOM 723 N TYR A 759 14.797 -19.474 -10.486 1.00 42.00 N ATOM 724 CA TYR A 759 15.259 -18.242 -9.847 1.00 2.21 C ATOM 725 C TYR A 759 15.340 -18.420 -8.356 1.00 1.44 C ATOM 726 O TYR A 759 16.157 -17.796 -7.691 1.00 31.05 O ATOM 727 CB TYR A 759 14.339 -17.064 -10.174 1.00 35.41 C ATOM 728 CG TYR A 759 14.420 -16.589 -11.597 1.00 12.40 C ATOM 729 CD1 TYR A 759 15.539 -15.913 -12.056 1.00 31.31 C ATOM 730 CD2 TYR A 759 13.379 -16.809 -12.479 1.00 12.24 C ATOM 731 CE1 TYR A 759 15.617 -15.471 -13.355 1.00 71.03 C ATOM 732 CE2 TYR A 759 13.448 -16.373 -13.780 1.00 61.43 C ATOM 733 CZ TYR A 759 14.570 -15.703 -14.214 1.00 34.43 C ATOM 734 OH TYR A 759 14.644 -15.266 -15.521 1.00 0.22 O ATOM 0 H TYR A 759 13.785 -19.598 -10.492 1.00 42.00 H new ATOM 0 HA TYR A 759 16.252 -18.023 -10.239 1.00 2.21 H new ATOM 0 HB2 TYR A 759 13.310 -17.352 -9.958 1.00 35.41 H new ATOM 0 HB3 TYR A 759 14.584 -16.233 -9.512 1.00 35.41 H new ATOM 0 HD1 TYR A 759 16.363 -15.731 -11.382 1.00 31.31 H new ATOM 0 HD2 TYR A 759 12.497 -17.332 -12.140 1.00 12.24 H new ATOM 0 HE1 TYR A 759 16.495 -14.945 -13.698 1.00 71.03 H new ATOM 0 HE2 TYR A 759 12.627 -16.555 -14.458 1.00 61.43 H new ATOM 0 HH TYR A 759 13.822 -15.511 -15.995 1.00 0.22 H new ATOM 744 N ARG A 760 14.459 -19.276 -7.831 1.00 43.31 N ATOM 745 CA ARG A 760 14.357 -19.558 -6.383 1.00 71.14 C ATOM 746 C ARG A 760 13.784 -18.412 -5.627 1.00 55.34 C ATOM 747 O ARG A 760 13.733 -18.429 -4.406 1.00 53.44 O ATOM 748 CB ARG A 760 15.679 -20.003 -5.790 1.00 31.51 C ATOM 749 CG ARG A 760 16.051 -21.382 -6.173 1.00 45.45 C ATOM 750 CD ARG A 760 17.425 -21.740 -5.683 1.00 42.04 C ATOM 751 NE ARG A 760 17.729 -23.160 -5.897 1.00 22.43 N ATOM 752 CZ ARG A 760 18.930 -23.644 -6.258 1.00 62.43 C ATOM 753 NH1 ARG A 760 19.947 -22.814 -6.498 1.00 72.32 N ATOM 754 NH2 ARG A 760 19.103 -24.951 -6.383 1.00 55.22 N ATOM 0 H ARG A 760 13.790 -19.799 -8.395 1.00 43.31 H new ATOM 0 HA ARG A 760 13.662 -20.392 -6.283 1.00 71.14 H new ATOM 0 HB2 ARG A 760 16.464 -19.319 -6.112 1.00 31.51 H new ATOM 0 HB3 ARG A 760 15.624 -19.936 -4.703 1.00 31.51 H new ATOM 0 HG2 ARG A 760 15.324 -22.083 -5.763 1.00 45.45 H new ATOM 0 HG3 ARG A 760 16.013 -21.482 -7.258 1.00 45.45 H new ATOM 0 HD2 ARG A 760 18.165 -21.128 -6.199 1.00 42.04 H new ATOM 0 HD3 ARG A 760 17.504 -21.508 -4.621 1.00 42.04 H new ATOM 0 HE ARG A 760 16.972 -23.830 -5.762 1.00 22.43 H new ATOM 0 HH11 ARG A 760 19.815 -21.807 -6.408 1.00 72.32 H new ATOM 0 HH12 ARG A 760 20.856 -23.187 -6.772 1.00 72.32 H new ATOM 0 HH21 ARG A 760 18.326 -25.588 -6.206 1.00 55.22 H new ATOM 0 HH22 ARG A 760 20.013 -25.321 -6.657 1.00 55.22 H new ATOM 768 N GLY A 761 13.325 -17.456 -6.336 1.00 53.13 N ATOM 769 CA GLY A 761 12.775 -16.305 -5.739 1.00 23.43 C ATOM 770 C GLY A 761 11.959 -15.506 -6.723 1.00 53.53 C ATOM 771 O GLY A 761 11.569 -14.374 -6.445 1.00 53.11 O ATOM 0 H GLY A 761 13.320 -17.450 -7.356 1.00 53.13 H new ATOM 0 HA2 GLY A 761 12.148 -16.596 -4.896 1.00 23.43 H new ATOM 0 HA3 GLY A 761 13.576 -15.683 -5.340 1.00 23.43 H new ATOM 775 N THR A 762 11.695 -16.118 -7.876 1.00 23.21 N ATOM 776 CA THR A 762 10.936 -15.516 -8.967 1.00 41.22 C ATOM 777 C THR A 762 11.426 -14.086 -9.316 1.00 1.32 C ATOM 778 O THR A 762 12.514 -13.964 -9.911 1.00 14.33 O ATOM 779 CB THR A 762 9.396 -15.549 -8.691 1.00 43.05 C ATOM 780 OG1 THR A 762 9.097 -14.893 -7.447 1.00 70.10 O ATOM 781 CG2 THR A 762 8.913 -16.997 -8.612 1.00 43.31 C ATOM 782 OXT THR A 762 10.720 -13.102 -9.000 1.00 36.85 O ATOM 0 H THR A 762 12.010 -17.066 -8.081 1.00 23.21 H new ATOM 0 HA THR A 762 11.122 -16.131 -9.848 1.00 41.22 H new ATOM 0 HB THR A 762 8.890 -15.032 -9.506 1.00 43.05 H new ATOM 0 HG1 THR A 762 9.630 -14.074 -7.373 1.00 70.10 H new ATOM 0 HG21 THR A 762 7.840 -17.013 -8.420 1.00 43.31 H new ATOM 0 HG22 THR A 762 9.120 -17.502 -9.556 1.00 43.31 H new ATOM 0 HG23 THR A 762 9.434 -17.511 -7.804 1.00 43.31 H new